CAS No.13545-04-5,2,3-DIMETHYLSUCCINIC ACID Suppliers

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Basic Information

Molecular Structure:
CAS No.:	13545-04-5
Name:	2,3-DIMETHYLSUCCINIC ACID
Article Data:	67

Formula:	C₆H₁₀O₄
Molecular Weight:	146.143
Synonyms:	2,3-Butanedicarboxylic acid;2,3-Dimethylbutanedioicacid;2,3-Dimethylsuccinic acid;NSC 41215;a,b-Dimethylsuccinic acid;Succinicacid, 2,3-dimethyl- (6CI,7CI,8CI);Succinic acid, a,b-dimethyl- (4CI);
EINECS:	236-915-9
Density:	1.242 g/cm³
Melting Point:	118-122 ºC
Boiling Point:	241.9 °C at 760 mmHg
Flash Point:	114.4 °C
Solubility:	30g/L(14 oC)
Appearance:	white to almost white crystalline powder
Hazard Symbols:	Xi
Risk Codes:	36/37/38
Safety:	26-37/39
PSA:	74.60000
LogP:	0.42780

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Specification

The Butanedioic acid,2,3-dimethyl-, with the CAS registry number 13545-04-5, is also known as 2,3-Butanedicarboxylic acid. It belongs to the product categories of C6; Carbonyl Compounds; Carboxylic Acids. Its EINECS registry number is 236-915-9. This chemical's molecular formula is C₆H₁₀O₄ and molecular weight is 146.14. What's more, both its IUPAC name and systematic name are the same which is called 2,3-Dimethylbutanedioic acid.

Physical properties about Butanedioic acid,2,3-dimethyl- are: (1)ACD/LogP: 0.10; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.56; (4)ACD/LogD (pH 7.4): -4.27; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 52.6 Å²; (13)Index of Refraction: 1.471; (14)Molar Refractivity: 32.89 cm³; (15)Molar Volume: 117.5 cm³; (16)Polarizability: 13.03×10^-24 cm³; (17)Surface Tension: 47.8 dyne/cm; (18)Density: 1.242 g/cm³; (19)Flash Point: 114.4 °C; (20)Enthalpy of Vaporization: 52.74 kJ/mol; (21)Boiling Point: 241.9 °C at 760 mmHg; (22)Vapour Pressure: 0.0116 mmHg at 25 °C.

Preparation of Butanedioic acid,2,3-dimethyl-: this chemical can be prepared by Benzaldehyde and N'-Acetyl-N,N-dimethyl-guanidine. This reaction needs reagent TiCl₄ and solvent Tetrahydrofuran at ambient temperature. The reaction time is 20 hours. The yield is 82 %.

Butanedioic acid,2,3-dimethyl- can be prepared by Benzaldehyde and N'-Acetyl-N,N-dimethyl-guanidine

Use of Butanedioic acid,2,3-dimethyl-: it is used to produce other chemicals. For example, it is used to produce 2,3-Dimethyl-butane-1,4-diol. The reaction occurs with reagent LiAlH₄. The yield is 90 %.

Butanedioic acid,2,3-dimethyl- is used to produce 2,3-Dimethyl-butane-1,4-diol

When you are using this chemical, please be cautious about it as the following:
As a chemical, it may cause inflammation to the skin or other mucous membranes. Besides, this chemical irritates to eyes, respiratory system and skin. During using it, wear suitable protective clothing and gloves. In case of contact with eyes or skin, rinse immediately with plenty of water and seek medical advice. What's more, it must be stored in a dry, ventilated place.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(O)C(C)C(C(=O)O)C
(2) InChI: InChI=1/C6H10O4/c1-3(5(7)8)4(2)6(9)10/h3-4H,1-2H3,(H,7,8)(H,9,10)
(3) InChIKey: KLZYRCVPDWTZLH-UHFFFAOYAF